ethyl 4-[2-[(2S)-1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate

C16H22N4O4 — CID 134210056

IUPACethyl 4-[2-[(2S)-1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate
SMILESCCOC(=O)c1ccc(NNC(=O)[C@@H]2CCCN2C(=O)NC)cc1
InChIInChI=1S/C16H22N4O4/c1-3-24-15(22)11-6-8-12(9-7-11)18-19-14(21)13-5-4-10-20(13)16(23)17-2/h6-9,13,18H,3-5,10H2,1-2H3,(H,17,23)(H,19,21)/t13-/m0/s1
InChIKeyNZXLCMIKSWVHMT-ZDUSSCGKSA-N
MW334.38 g/mol
LogP1.11
Rot. Bonds5

About ethyl 4-[2-[(2S)-1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate

ethyl 4-[2-[(2S)-1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate (PubChem CID 134210056) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is ethyl 4-[2-[(2S)-1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-[(2S)-1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate
PubChem CID134210056
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Nameethyl 4-[2-[(2S)-1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate
SMILESCCOC(=O)c1ccc(NNC(=O)[C@@H]2CCCN2C(=O)NC)cc1
InChIInChI=1S/C16H22N4O4/c1-3-24-15(22)11-6-8-12(9-7-11)18-19-14(21)13-5-4-10-20(13)16(23)17-2/h6-9,13,18H,3-5,10H2,1-2H3,(H,17,23)(H,19,21)/t13-/m0/s1
InChIKeyNZXLCMIKSWVHMT-ZDUSSCGKSA-N
XLogP1.11
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-[1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate
CID 134209619
4-[2-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]hydrazinyl]benzoic acid
CID 134210075
tert-butyl 2-[(4-ethoxycarbonylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110426719
2-[(4-methylanilino)carbamoyl]pyrrolidine-1-carboxamide
CID 134211831
3-[2-[(2S)-1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]pyrrolidine-2-carbonyl]hydrazinyl]benzoic acid
CID 138678552
methyl 2-[(2-ethoxycarbonylanilino)carbamoyl]pyrrolidine-1-carboxylate
CID 134209965
ethyl 4-[[(2R)-2-(methylcarbamoyl)pyrrolidin-1-yl]diazenyl]benzoate
CID 1493648
ethyl 3-[(1-butanoylpyrrolidine-2-carbonyl)amino]benzoate
CID 60528914
ethyl 4-[[2-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]pyrrolidine-1-carbonyl]amino]benzoate
CID 5022333
ethyl 4-[[(2R)-2-[[[(2S)-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)carbamoyl]pyrrolidine-1-carbonyl]amino]methyl]butanoyl]amino]benzoate
CID 67875841
ethyl 4-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]benzoate
CID 92500022
2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3230278

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(2S)-1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate?
The IUPAC name of ethyl 4-[2-[(2S)-1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate (CID 134210056) is ethyl 4-[2-[(2S)-1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate.
What is the SMILES notation for ethyl 4-[2-[(2S)-1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate?
The canonical SMILES for ethyl 4-[2-[(2S)-1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate is CCOC(=O)c1ccc(NNC(=O)[C@@H]2CCCN2C(=O)NC)cc1.
What is the InChIKey of ethyl 4-[2-[(2S)-1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate?
The InChIKey is NZXLCMIKSWVHMT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-3-24-15(22)11-6-8-12(9-7-11)18-19-14(21)13-5-4-10-20(13)16(23)17-2/h6-9,13,18H,3-5,10H2,1-2H3,(H,17,23)(H,19,21)/t13-/m0/s1.
What are the key properties of ethyl 4-[2-[(2S)-1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate?
ethyl 4-[2-[(2S)-1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate has a molecular weight of 334.38 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(2S)-1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate is sourced from PubChem (CID 134210056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).